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Compound Detail

CHEMBL4060259

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Cn1c(-c2ccc(CN3CCC(Cc4ccccc4)CC3)cc2)cc2onc(-c3ccccc3)c2c1=O
ChEMBL ↗ Properties Compare Identifier

Basic Information

ChEMBL ID CHEMBL4060259
Phase Preclinical
Structure Type MOL
InChI Key WBWNSDSTWMOXHE-UHFFFAOYSA-N
0
Targets
0
Activities
0
Assay Types
0
PK Parameters
1
Publications
0
Known Names

Molecular Properties

489.6
MW (Da)
6.32
ALogP
5
HBA
0
HBD
51.3
PSA (Ų)
0.28
QED
1
Ro5 Violations
6
Rot. Bonds

Drug Information

Molecule Type Small molecule
Availability Unknown
Chirality Unknown

Flags

First in Class Prodrug

Extended Properties

Molecular Formula C32H31N3O2
MW 489.62
Aromatic Rings 5
Heavy Atoms 37
NP-Likeness -0.76

Literature References

PubMed DOI Target Context # Activities
28655422 10.1016/j.bmcl.2017.06.039 dCTP pyrophosphatase 1 1

Data from ChEMBL 36 via Core Engine